EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223929 - Rhinomilisin I

ChEBI IDCHEBI:223929
ChEBI NameRhinomilisin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H21ClO5
Net Charge0
Average Mass316.781
Monoisotopic Mass316.10775
SMILESC[C@@H](C(=O)O)[C@H]1CC[C@](O)(CCl)[C@H]2CCC(C(=O)O)=C[C@H]12
InChIInChI=1S/C15H21ClO5/c1-8(13(17)18)10-4-5-15(21,7-16)12-3-2-9(14(19)20)6-11(10)12/h6,8,10-12,21H,2-5,7H2,1H3,(H,17,18)(H,19,20)/t8-,10-,11-,12+,15+/m1/s1
InChIKeyBBMULDVHVPMLBG-LXRNVZLWSA-N
Species of MetaboliteComponentSourceComments
Rhinocladiella similis (ncbitaxon:319420) - PubMed (31044595)
ChEBI Ontology
Outgoing Relation(s)
Rhinomilisin I (CHEBI:223929) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4aS,5R,8S,8aS)-8-[(1R)-1-carboxyethyl]-5-(chloromethyl)-5-hydroxy-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carboxylic acid